SCHEMBL4059929

SCHEMBL4059929

COc1ccccc1Oc1c(NS(=O)(=O)Cc2ccccc2)nc(-c2ccncc2)nc1OCCO

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.70
EDNRB P24530 13/20 0.70
DHPS P49366 2/20 0.57
ABCC3 O15438 1/20 0.57
ABCC4 O15439 1/20 0.57
NR1I2 O75469 1/20 0.57
ABCB11 O95342 1/20 0.57
NR1H3 Q13133 1/20 0.57
NR1I3 Q14994 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4062095 0.94 EDNRA (0.64) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL4062752 0.91 EDNRA (0.84) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL4069236 0.88 EDNRA (0.78) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL14289226 0.83 EDNRA (0.84) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL4067891 0.83 EDNRA (0.59) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL25637066 0.82 EDNRA (0.84) EDNRAEDNRB
SCHEMBL6924548 0.82 EDNRA (0.59) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL6974318 0.81 EDNRA (0.89) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL5631093 0.81 EDNRA (0.64) EDNRAEDNRBDHPSABCC3ABCC4
SCHEMBL5653426 0.81 EDNRA (0.71) EDNRAEDNRBDHPSABCC3ABCC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322624-B1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2009-10-21 EP disclosed
US-7091201-B2 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-15 US disclosed
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity ACTELION PHARMACEUTICALS LTD. (CH) 2004-05-27 US disclosed
EP-1322624-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2003-07-02 EP disclosed
WO-2002024665-A1 ARYLALKANE-SULFONAMIDES HAVING ENDOTHELIN-ANTAGONIST ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2002-03-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040102464-A1 Arylalkane-sulfonamides having endothelin-antagonist activity EDNRA, EDNRB, ECE2 EDNRA 1/4885EDNRB 2/4885DHPS 1235/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.